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Ligand ID | 7WT |
InChI | InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1 |
InChIKey | HNPFPERDNWXAGS-NFVOFSAMSA-N |
SMILES | Software | SMILES |
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CACTVS 3.385 | O[CH](CC[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O)CCc2ccccc2 | CACTVS 3.385 | O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O)CCc2ccccc2 | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)CC[C@@H](CC[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O)O)O | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)CCC(CCC2C(CC(C2CC=CCCCC(=O)O)O)O)O |
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Formula | C23 H34 O5 |
Name | Z-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid; 7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid |
ChEMBL | CHEMBL1050 |
DrugBank | |
ZINC | ZINC000013589951
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PDB chain | 8iul Chain R Residue 401
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